ChemDraw Ultra 12.0 Suite
 This
ultimate drawing suite includes ChemDraw Ultra 12.0, ChemDraw/Excel
12.0 (W), MNova Std/Lite (W), Chem3D Pro 12.0 (W), ChemBioFinder
Std 12.0 (W), the ChemDraw and Chem3D ActiveX Pro Controls & Plugins
(W), ChemBioFinder/Office 12.0 (W) and the ChemINDEX (Index, RXN,
NCI & AIDS) Databases.
ChemDraw Ultra 12.0 features now available:
- ChemDraw
- Sequence Tool with disulphide bonds, sequence wrapping
and shaping
- Struct>Name enhanced support for fused and
bridged ring systems
- Name>Struct ambiguous name recognition
- Documents can
contain over 16 million colors
ChemDraw Ultra 12.0 adds the Chem3D Pro 12.0 application, as well
as ChemDraw Ultra features such as Struct = Name, ChemNMR, the
Database Gateway LiveLink, the Chem3D LiveLink, ClogP/CMR, Stoichiometry
Grid, ChemDraw/Excel, ChemBioFinder/Office (W) to ChemDraw Pro
12.0.
(W = Windows Only)
Applications included
- ChemDraw Ultra 12.0
ChemDraw has long since been recognized as the industry’s
leading application for chemical structure drawing. Sequence
Tool, 13C and 1H NMR prediction with peak splitting and highlighting,
a TLC plate drawing tool, Struct<=>Name, ChemDraw/Excel,
Stoichiometric analysis, Property predictions Live-Linked to
the structure, a Live-Linked Database Gateway, Fragmentation
tools, 3D structures Live-Linked to the 2D structure and more!
ChemDraw also offers a number of customization options such as
custom Nicknames, Templates, HotKeys and even newly added ChemDraw
Themes.
- Chem3D Pro 12.0
This premier application for desktop molecular modeling and protein
visualization provides support for state-of-the-art open GL graphics
and stereo hardware. Build small molecules using the ChemDraw
interface and see the 3D structure appear simultaneously, perform
basic Molecular modeling computations such as Dihedral driver
MM2 experiments, Molecular Mechanics and Dynamics. Perform ab
initio calculations with an interface to GAMESS.
- ChemBioFinder Std 12.0
ChemBioFinder Std is a database management system appropriate
for anyone who works with chemical information and chemical structure
databases. Browse, create, search, and update databases with
structural, numeric, and text data via user-customizable forms,
including structural and sub-structural queries, as well as linking
to related data in sub-forms. View and edit structures in a variety
of modes, automatically create databases and forms for imported
data, export and print.
- ChemDraw ActiveX/Plugin Pro 12.0
This premier ActiveX Control/Plugin
allows you to query online databases and view & publish online
structures. This installer will automatically install the necessary
Plugin or ActiveX controls based on your web browser(s).
It adds save and print abilities to ChemDraw ActiveX/Plugin Net.
- Chem3D ActiveX Pro 12.0
This premier ActiveX Control/Plugin allows you to view & publish
3D structures online and in MS PowerPoint presentations. This
installer will automatically install the necessary Plugin or
ActiveX controls based on your web browser(s). It adds save and
print abilities to Chem3D ActiveX/Plugin Net.
- ChemDraw/Excel Pro 12.0
ChemDraw/Excel allows the user to create chemically knowledgeable
spreadsheets within the familiar Microsoft Excel environment.
You can build and manipulate chemical structures within Excel,
compute chemical properties and perform database searches.
- ChemNMR Pro 12.0
ChemNMR can be used to accurately estimate 13C and 1H (proton)
chemical shifts. The molecule and the spectrum appear in a new
window. The chemical shifts are displayed on the molecule and
the spectrum is linked to the structure so that clicking on a
peak in the spectrum highlights the related fragment on the molecule.
- Struct=Name Pro 12.0
Generate systematic names for chemical structures with support
for the Cahn-Ingold-Prelog rules for stereochemistry. Struct
= Name produces names from structures and structures from names.
Chemical naming includes support for many more types of compounds,
including charged compounds and salts, highly symmetric structures,
many types of inorganic and organometallic compounds, and others.
This product is ChemDraw Std plus the Struct = Name feature.
- MNova Std/Lite
MestRe Nova Std is a 1D only application for data processing,
visualization and analysis of NMR data. The program provides
a variety of conversion facilities for most NMR spectrometer
formats and includes all the conventional processing, displaying
and plotting capabilities of an NMR program, as well as more
advanced processing techniques. MestRe Nova Std/Lite is a 1D
only version of MestRe Nova which offers the user basic processing
and analysis capabilities. The full version of MestRe Nova (MNova,
MestReNova) is available through either the PerkinElmer Informatics online
store or directly through MESTRELAB RESEARCH.
Databases Included
- ChemINDEX & NCI: Personal Internet Edition:
One Year Subscription
With no ads, more hits, NCI data and the ability to export your hit
list, ChemINDEX adds professionalism to the free ChemFinder.Com database.
All this while keeping the excellence you expect: physical properties,
links to additional chemical information, and links to ChemACX.Com.
Applications Features
(W) - Feature available on Win only
ChemDraw Ultra 12.0
- ActiveX Edit in ChemDraw
Edit your document using your installed version of ChemDraw, rather than
your ActiveX, providing greater screen real estate for editing, and also
access to the full range of ChemDraw capabilities.
- Annotations
Store annotations for each element in your drawing. Annotation data ranges
from manually entered text to attached documents, literature references
or links.
- Atom Numbering
Add sequential numbering indicators to atoms in a structure.
- BioDraw
Draw biological pathways.
- Chem3D HotLink
(W) See what structures look like in 3D in a floating window and open
Chem3D with a single click from within ChemDraw.
- ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.
- Chemical File
Format
Reading & writing of chemical file formats including spectra & reactions.
- Chemical
Warnings
Mouse-over red box to read error description.
- ChemNMR
Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13
NMR spectra. Spectra and peaks are linked to the structure for clear
interpretation.
- ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which
can supplement the existing data used by the ChemNMR algorithm.
- CLogP
(W) CLogP property server provides the latest methodology for calculationg
n-octanol/water partition coefficients.
- Color Faded Shapes
Shapes can now be filled with a faded color.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- Database HotLink
Search PerkinElmer Informatics databases for chemical structures in real time as
you draw.
- Expand Generic Structure
Generate multiple structures from an "abbreviated" generic
structure.
- Floating Character Map
Add special characters from any font instantly to any ChemDraw document.
- Floating
Periodic Table
Element information available at all times with floating periodic table
on the desktop.
- Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using
this intuitive drawing tool.
- Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.
- Graphical
File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.
- High-color
Documents
Documents can contain over 16 million colors.
- I/Draw Mode
New compatibility mode allows ChemDraw to look and feel like your legacy
drawing package.
- ISIS-style Data SGroups
Data can be attached to objects.
- LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.
- Mass & Other
Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
- MDL
Molfile
Read and write files in the Molfile format.
- MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings
in any Office document.
- Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file.
- Name=Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic
chemical names for most substances.
- New Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle,
dipole, no-go and more.
- Object Specific Settings
Create drawings with different styles in different parts of the document.
- Online
Menu
(W) Draw a structure or model and immediately get online vendor information
ChemACX.Com with the click of a button.
- Polymer Draw
Represent and manipulate polymers in ChemDraw.
- Properties HotLink
Chemical names, formulas, molecular weights, and other physical properties
added to the document are “live”, and will now update automatically
as modifications are made to structural diagrams.
- Relative Stereochemistry
Allows specification of relationships between groups of stereocenters
smaller than an entire molecule.
- Rotation about Arbitrary Centers
Change the center of rotation using adjustment handle on the Lasso and
Marquee tools. Rotation will now be centered on the selected origin.
- SD
File Format Support
Import and export SD files directly from ChemDraw.
- Sequence Tool
Draw peptide or nucleotide sequences using using 1 and 3 letter codes.
The atoms are labeled with amino acid or nucleotide nicknames. The sequences
can be expanded and contracted.
- Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
- Stoichiometry
Grid
Automatically track and update stoichiometry data for any user-defined
chemical reaction.
- Struct=Name
Produce names for many more types of compounds, including charged compounds
and salts, highly symmetric structures, many types of inorganic and organometallic
compounds, and others.
- Structure CleanUp
Improves poor drawings.
- Structure Drawing
Draw chemical structures.
- Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical
mouse movements.
- Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.
- TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction
of TLC plates for inclusion in ChemDraw Documents.
- tPSA
Topological Polar Surface Area (tPSA) provides a fast approximation of
the molecular polar surface area, a useful parameter for prediction of
drug transport properties, which has been show to correlate with human
intestinal absorption and blood-brain barrier penetration.
Chem3D Pro 12.0
- ChemProp
(W) Advanced property parameter including BP, MP and more.
- Dihedral Driver
(W) New conformational analysis tool allows the generation of MM2 energy
plots.
- Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
- GAMESS
Interface
(W) Chem3D interface to GAMESS.
- Group Labels
(W) Display group labels in the Chem3D model view.
- Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!
- Kekule / Delocalized
Display Mode
(W) Toggle between dashed line and alternating single-double bond representation
of delocalized and aromatic bonds.
- MM2
(W) Built in support for MM2 to generate realistic 3D structures.
- Model
Explorer
(W) Hierarchical tree-control for exploring the structure of large
models. Import a PDB file and examine chains, groups, and ligands.
This new feature gives fine-grained control.
- Molecular Modeling & Dynamics
(W) Workstation quality molecular modeling.
- Multiprocessor Support
Enable multiprocessor support in MMFF94 calculations.
- PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models
while giving a presentation.
- Spectrum Viewer
(W) Display spectral calculation results from Jaguar, Gaussian, and GAMESS
as a graphical display in a separate window.
- Stereo Hardware Support
(W) Use Chem3D with a variety of stereo monitors, shutterglasses, & other
hardware to provide a true 3-dimentional modeling experience.
ChemBioFinder
Std 12.0
- ActiveX Control Boxes
(W) Include third party ActiveX controls on your form.
- Automatic Form
Generation
(W) Automatically build or extend databases by importing structures from
collections of structure files, databases, SDFiles, or other sources.
- CAL
Programming
(W) CAL is a simple programming language, accessible to non-programmers
allows automation, self-running demos, custom operations; includes debugging
features.
- ChemFinder/Office
(W) Search on your computer or network for chemical structures in Word,
Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search,
refine, or export your hit list to any destination.
- Chemical Searching
(W) Search for (sub)structure, similarity, numeric values, text, chemical
formula (including element ranges, element exclusions), date. Support
for tautomers and alt groups.
- Hit List and Query Management
(W) Use a navigation tree to track history of searches between sessions,
allow queries to be rerun or reconstituted; merge lists by drag-and-drop
in tree. Queries color-coded to relate to ChemBioViz plots.
- List Merge
(W) Merge hitlists with any logic: intersect, union, subtract, reverse
subtract.
- Multiple Data Views
(W) View records one at a time, in a table view or a multiform view.
- Standardized
Handling of Implict Hydrogens
Conforms to industry standards.
- Subforms
(W) Link relational data to your main table via subforms.
- Tabbed Forms
(W) Partition a form into sections using tabbed form pages.
ChemDraw ActiveX/Plugin
Pro 12.0
- ActiveX Edit in ChemDraw
Edit your document using your installed version of ChemDraw, rather than
your ActiveX, providing greater screen real estate for editing, and also
access to the full range of ChemDraw capabilities.
- Annotations
Store annotations for each element in your drawing. Annotation data ranges
from manually entered text to attached documents, literature references
or links.
- Annotations
Store annotations to include additional reference data for each structure
or object in your drawing. Annotation data ranges from manually entered
text to attached documents, literature references or links.
- Atom Numbering
Add sequential numbering indicators to atoms in a structure.
- Chemical
File Format
Reading & writing of chemical file formats including spectra & reactions.
- Chemical
Warnings
Mouse-over red box to read error description.
- Color Faded Shapes
Shapes can now be filled with a faded color.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- Expand Generic
Structure
Generate multiple structures from an "abbreviated" generic
structure.
- Floating Character Map
Add special characters from any font instantly to any ChemDraw document.
- Floating
Periodic Table
Element information available at all times with floating periodic table
on the desktop.
- Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using
this intuitive drawing tool.
- Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.
- Graphical
File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.
- I/Draw
Mode
New compatibility mode allows ChemDraw to look and feel like your legacy
drawing package.
- ISIS-style Data SGroups
Data can be attached to objects.
- LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.
- Mass & Other
Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
- MDL
Molfile
Read and write files in the Molfile format.
- MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings
in any Office document.
- Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file.
- New
Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle,
dipole, no-go and more.
- Object Specific Settings
Create drawings with different styles in different parts of the document.
- Online
Menu
(W) Draw a structure or model and immediately get online vendor information
ChemACX.Com with the click of a button.
- Polymer Draw
Represent and manipulate polymers in ChemDraw.
- Properties HotLink
Chemical names, formulas, molecular weights, and other physical properties
added to the document are “live”, and will now update automatically
as modifications are made to structural diagrams.
- Relative Stereochemistry
Allows specification of relationships between groups of stereocenters
smaller than an entire molecule.
- SD File Format Support
Import and export SD files directly from ChemDraw.
- Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
- Structure CleanUp
Improves poor drawings.
- Structure Drawing
Draw chemical structures.
- Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical
mouse movements.
- Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.
- TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction
of TLC plates for inclusion in ChemDraw Documents.
- tPSA
Topological Polar Surface Area (tPSA) provides a fast approximation of
the molecular polar surface area, a useful parameter for prediction of
drug transport properties, which has been show to correlate with human
intestinal absorption and blood-brain barrier penetration.
Chem3D ActiveX
Pro 12.0
- Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
- Group
Labels
(W) Display group labels in the Chem3D model view.
- Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!
- Kekule / Delocalized
Display Mode
(W) Toggle between dashed line and alternating single-double bond representation
of delocalized and aromatic bonds.
- PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models
while giving a presentation.
ChemDraw/Excel Pro 12.0
- ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.
- Name=Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic
chemical names for most substances.
ChemNMR Pro 12.0
- ChemNMR
Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13
NMR spectra. Spectra and peaks are linked to the structure for clear
interpretation.
- ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which
can supplement the existing data used by the ChemNMR algorithm.
Struct=Name
Pro 12.0
- Struct=Name
Produce names for many more types of compounds, including charged compounds
and salts, highly symmetric structures, many types of inorganic and organometallic
compounds, and others.
System Requirements
- Windows 2000 SP4 (NOT supported for E-Notebook in ChemBioOffice
2010), XP Pro SP2 (32 bit only), Vista Business and Ultimate (32 bit
only); MS Office 2000 (NOT supported by ChemDraw for Excel and Combi
for Excel add-ins or E-Notebook in ChemOffice 2010), MS Office XP, MS
Office 2003, MS Office 2007
- Mac OS X 10.4 PowerPC, Mac OS X 10.4 Intel,
Mac OS X 10.5 PowerPC/Intel
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